Base information
| Cat. No. | |
| CAS No. | 21729-98-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C3H4N2O2 |
| Molecular Weight | 100.076 |
| Exact Mass | 100.027 |
| XLogP3 | 0.21438 |
| Mr | 20.7597 |
| PSA | 62.12 |
| Sequence | - |
| Atom number | 11 |
| Bond number | 10 |
| Ring number | 0 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | COC(=O)NC#N |
